The primary aim of the proposed research is to explore and implement the capability of the triple quadrupole mass spectrometer as a tool for the determination of the structure of organic molecules. The development of the structural determination capability for triple quad MS will proceed in the three general areas described: 1. Improvements in our triple quad MS for application to structure determination. Improvements to the vacuum system will result in "cleaner" spectra, greater sensitivity and more reliable operation. Source and detector improvements will give greater sensitivity and more efficient operation. A relatively minor expansion of our laboratory computer is required to bring a data system and spectral search capability on line. 2. Characterization of structural information contained in the collisionally-activated dissociation (CAD) spectra. This study is to determine the CAD spectral characteristics of a variety of skeletal structures and functional groups. Alcohols, ethers, aldehydes, ketones, esters, and carboxylic acids, amides, amines, nitriles, and nitro compounds with linear, branched, cyclic, and aromatic skeletons will be studied. The effects of functional groups and skeletal features on the spectra of other groups and features will be sought. The effects of experimental variables (such as energy and pressure) on spectra will be observed in order to ascertain their potential for further characterization and to determine desirable standard conditions for reference spectrum library generation. 3. Develop techniques for positive identification of structure based on CAD data. Fragments will be identified by proven computer techniques of spectrum matching and analysis. The most probable structures of the sample molecule will be presented, based on consistency of the total fragmentation pattern with known compounds, substructures, and selection guidelines.